methyl 4-[[4-[(4-morpholin-2-ylphenyl)carbamoyl]phenoxy]methyl]benzoate

C26H26N2O5 — CID 67240705

IUPACmethyl 4-[[4-[(4-morpholin-2-ylphenyl)carbamoyl]phenoxy]methyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccc(C(=O)Nc3ccc(C4CNCCO4)cc3)cc2)cc1
InChIInChI=1S/C26H26N2O5/c1-31-26(30)21-4-2-18(3-5-21)17-33-23-12-8-20(9-13-23)25(29)28-22-10-6-19(7-11-22)24-16-27-14-15-32-24/h2-13,24,27H,14-17H2,1H3,(H,28,29)
InChIKeyBWCYBKOHQWMMEA-UHFFFAOYSA-N
MW446.50 g/mol
LogP3.97
Rot. Bonds7

About methyl 4-[[4-[(4-morpholin-2-ylphenyl)carbamoyl]phenoxy]methyl]benzoate

methyl 4-[[4-[(4-morpholin-2-ylphenyl)carbamoyl]phenoxy]methyl]benzoate (PubChem CID 67240705) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is methyl 4-[[4-[(4-morpholin-2-ylphenyl)carbamoyl]phenoxy]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-[(4-morpholin-2-ylphenyl)carbamoyl]phenoxy]methyl]benzoate
PubChem CID67240705
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Namemethyl 4-[[4-[(4-morpholin-2-ylphenyl)carbamoyl]phenoxy]methyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccc(C(=O)Nc3ccc(C4CNCCO4)cc3)cc2)cc1
InChIInChI=1S/C26H26N2O5/c1-31-26(30)21-4-2-18(3-5-21)17-33-23-12-8-20(9-13-23)25(29)28-22-10-6-19(7-11-22)24-16-27-14-15-32-24/h2-13,24,27H,14-17H2,1H3,(H,28,29)
InChIKeyBWCYBKOHQWMMEA-UHFFFAOYSA-N
XLogP3.97
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-[(4-morpholin-2-ylphenyl)carbamoyl]phenoxy]methyl]benzoate?
The IUPAC name of methyl 4-[[4-[(4-morpholin-2-ylphenyl)carbamoyl]phenoxy]methyl]benzoate (CID 67240705) is methyl 4-[[4-[(4-morpholin-2-ylphenyl)carbamoyl]phenoxy]methyl]benzoate.
What is the SMILES notation for methyl 4-[[4-[(4-morpholin-2-ylphenyl)carbamoyl]phenoxy]methyl]benzoate?
The canonical SMILES for methyl 4-[[4-[(4-morpholin-2-ylphenyl)carbamoyl]phenoxy]methyl]benzoate is COC(=O)c1ccc(COc2ccc(C(=O)Nc3ccc(C4CNCCO4)cc3)cc2)cc1.
What is the InChIKey of methyl 4-[[4-[(4-morpholin-2-ylphenyl)carbamoyl]phenoxy]methyl]benzoate?
The InChIKey is BWCYBKOHQWMMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-31-26(30)21-4-2-18(3-5-21)17-33-23-12-8-20(9-13-23)25(29)28-22-10-6-19(7-11-22)24-16-27-14-15-32-24/h2-13,24,27H,14-17H2,1H3,(H,28,29).
What are the key properties of methyl 4-[[4-[(4-morpholin-2-ylphenyl)carbamoyl]phenoxy]methyl]benzoate?
methyl 4-[[4-[(4-morpholin-2-ylphenyl)carbamoyl]phenoxy]methyl]benzoate has a molecular weight of 446.50 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-[(4-morpholin-2-ylphenyl)carbamoyl]phenoxy]methyl]benzoate is sourced from PubChem (CID 67240705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).